N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide

C16H16FNO2 — CID 103941364

IUPACN-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide
SMILESCCc1ccccc1CNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C16H16FNO2/c1-2-11-5-3-4-6-12(11)10-18-16(20)14-8-7-13(19)9-15(14)17/h3-9,19H,2,10H2,1H3,(H,18,20)
InChIKeyIPJDGGWPRHRROB-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.02
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide

N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide (PubChem CID 103941364) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide
PubChem CID103941364
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC NameN-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide
SMILESCCc1ccccc1CNC(=O)c1ccc(O)cc1F
InChIInChI=1S/C16H16FNO2/c1-2-11-5-3-4-6-12(11)10-18-16(20)14-8-7-13(19)9-15(14)17/h3-9,19H,2,10H2,1H3,(H,18,20)
InChIKeyIPJDGGWPRHRROB-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
4-amino-N-[(2-ethylphenyl)methyl]-2-fluorobenzamide
CID 64680864
N-[(2-ethylphenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 115299129
N-[(2-ethylphenyl)methyl]-3-fluoro-2-(methylamino)benzamide
CID 64693951
2-fluoro-4-hydroxy-N-[2-(methylaminomethyl)phenyl]benzamide
CID 107677077
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-hydroxybenzamide
CID 104930006
4-chloro-N-[(2-ethoxyphenyl)methyl]-2-fluorobenzamide
CID 94472484
2-fluoro-4-hydroxy-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107675567
2,4-diamino-N-[(2-ethylphenyl)methyl]benzamide
CID 64682133
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107674361
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
3-amino-N-[(2-ethylphenyl)methyl]-2,5-difluorobenzamide
CID 107121143

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide (CID 103941364) is N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide is CCc1ccccc1CNC(=O)c1ccc(O)cc1F.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is IPJDGGWPRHRROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-2-11-5-3-4-6-12(11)10-18-16(20)14-8-7-13(19)9-15(14)17/h3-9,19H,2,10H2,1H3,(H,18,20).
What are the key properties of N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide?
N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 273.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 103941364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).